HRID180241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID5380710

5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

C6H3BrClN3

HCID66674700

未命名化合物

PRODUCTS

生成物

结构：NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cc(Br)c23)CC1

HCID66673263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e623e16aac7542f695a466e71665cecb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:31][c:32]1[cH:33][nH:34][c:35]2[n:36][cH:37][n:38][c:39]([Cl:41])[c:40]12.[CH3:42][CH2:43][CH2:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1>>[NH2:10][C:11]1([C:17](=[O:18])[NH:19][CH:20]([CH2:21][CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]2)[CH2:12][CH2:13][N:14]([c:39]2[n:38][cH:37][n:36][c:35]3[nH:34][cH:33][c:32]([Br:31])[c:40]32)[CH2:15][CH2:16]1